N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide

C26H25F3N2O3 — CID 123411994

IUPACN-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CC(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H25F3N2O3/c1-34-22-12-10-18(11-13-22)16-24(32)31-23(25(33)30-17-19-6-3-2-4-7-19)15-20-8-5-9-21(14-20)26(27,28)29/h2-14,23H,15-17H2,1H3,(H,30,33)(H,31,32)
InChIKeyDHFQEGCIYXIHAQ-UHFFFAOYSA-N
MW470.49 g/mol
LogP4.30
Rot. Bonds9

About N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide

N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 123411994) has the molecular formula C26H25F3N2O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID123411994
Molecular FormulaC26H25F3N2O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC NameN-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CC(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H25F3N2O3/c1-34-22-12-10-18(11-13-22)16-24(32)31-23(25(33)30-17-19-6-3-2-4-7-19)15-20-8-5-9-21(14-20)26(27,28)29/h2-14,23H,15-17H2,1H3,(H,30,33)(H,31,32)
InChIKeyDHFQEGCIYXIHAQ-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(1,3-benzodioxol-5-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 72714681
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 147411654
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 71185601
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
3-[[2-(3-methoxyphenyl)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 67361234
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591
N-[1-oxo-3-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 154858162
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 123411994) is N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(CC(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DHFQEGCIYXIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3/c1-34-22-12-10-18(11-13-22)16-24(32)31-23(25(33)30-17-19-6-3-2-4-7-19)15-20-8-5-9-21(14-20)26(27,28)29/h2-14,23H,15-17H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 470.49 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 123411994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).